trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid

C11H10N2O2 — CID 155943296

IUPACtrans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1cccc2cn[nH]c12
InChIInChI=1S/C11H10N2O2/c14-11(15)9-4-8(9)7-3-1-2-6-5-12-13-10(6)7/h1-3,5,8-9H,4H2,(H,12,13)(H,14,15)/t8-,9+/m0/s1
InChIKeySFBWUYBGSSHYNL-DTWKUNHWSA-N
MW202.21 g/mol
LogP1.75
Rot. Bonds2

About trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid (PubChem CID 155943296) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid
PubChem CID155943296
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Nametrans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1cccc2cn[nH]c12
InChIInChI=1S/C11H10N2O2/c14-11(15)9-4-8(9)7-3-1-2-6-5-12-13-10(6)7/h1-3,5,8-9H,4H2,(H,12,13)(H,14,15)/t8-,9+/m0/s1
InChIKeySFBWUYBGSSHYNL-DTWKUNHWSA-N
XLogP1.75
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indazol-5-yl)acetic acid
CID 39103838
7-Methyl-1H-indazole-5-carboxylic acid
CID 53408503
2-(1H-indazol-6-yl)acetic acid
CID 59509330
2-(1H-indazol-4-yl)acetic acid
CID 70680386
2-(1H-indazol-7-yl)acetic acid
CID 82598988
(2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride
CID 155388479
2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid
CID 177379490
Vazegepant Impurity 20
CID 129095274
rac-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid hydrochloride
CID 155943295
5-(3-Indazolyl)pentanoic acid
CID 20031061
2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
CID 21102245
Methyl (alphaR)-alpha-amino-7-methyl-1H-indazole-5-propanoate
CID 59833953

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid (CID 155943296) is trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1cccc2cn[nH]c12.
What is the InChIKey of trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid?
The InChIKey is SFBWUYBGSSHYNL-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(15)9-4-8(9)7-3-1-2-6-5-12-13-10(6)7/h1-3,5,8-9H,4H2,(H,12,13)(H,14,15)/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 155943296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).